SCHEMBL5625650

SCHEMBL5625650

CN(C)CCNC(=O)c1cc(N2CCOCC2=O)ccc1NC(=O)CCN

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.45
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5625633 0.90 F10 (0.45) F10
SCHEMBL5626818 0.84 F10 (0.46) F10
SCHEMBL5628415 0.82 F10 (0.45) F10
SCHEMBL5628480 0.76 F10 (0.63) F10
SCHEMBL5626801 0.74 F10 (0.45) F10
SCHEMBL1380646 0.73 F10 (0.62) F10
SCHEMBL5624558 0.73 F10 (0.70) F10
SCHEMBL5628403 0.73 F10 (0.45) F10
SCHEMBL5626842 0.72 F10 (0.71) F10
SCHEMBL1377268 0.68 F10 (0.55) F10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070179122-A1 Beta-Aminoacid-Derivatives As Factor Xa Inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070179122-A1 Beta-Aminoacid-Derivatives As Factor Xa Inhibitors F12, F11, F5 F10 9/4885HDAC3 3029/4885HDAC1 2445/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.